3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide

C10H23N3O — CID 79386652

IUPAC3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC(C)(C)O
InChIInChI=1S/C10H23N3O/c1-5-8(6-9(11)12)13(4)7-10(2,3)14/h8,14H,5-7H2,1-4H3,(H3,11,12)
InChIKeyYNOBUNKAMZFRNS-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.79
Rot. Bonds6

About 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide

3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide (PubChem CID 79386652) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide
PubChem CID79386652
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC(C)(C)O
InChIInChI=1S/C10H23N3O/c1-5-8(6-9(11)12)13(4)7-10(2,3)14/h8,14H,5-7H2,1-4H3,(H3,11,12)
InChIKeyYNOBUNKAMZFRNS-UHFFFAOYSA-N
XLogP0.79
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide (CID 79386652) is 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)CC(C)(C)O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide?
The InChIKey is YNOBUNKAMZFRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-8(6-9(11)12)13(4)7-10(2,3)14/h8,14H,5-7H2,1-4H3,(H3,11,12).
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide?
3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide has a molecular weight of 201.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide is sourced from PubChem (CID 79386652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).